1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(2,6-dimethyl-3-nitro-phenoxy)ethanone

Systemtic Name: 1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(2,6-dimethyl-3-nitro-phenoxy)ethanone Openeye Name: 1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(2,6-dimethyl-3-nitro-phenoxy)ethanone CAS Name: 1-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]-2-(2,6-dimethyl-3-nitrophenoxy)ethanone IUPAC Name: 1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(2,6-dimethyl-3-nitrophenoxy)ethanone Traditional Name: 1-[4-(4-chlorobenzyl)piperazino]-2-(2,6-dimethyl-3-nitro-phenoxy)ethanone Formula: C21H24ClN3O4 MolecularWeight: 417.88596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)[N+](=O)[O-])C)OCC(=O)N2CCN(CC2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C(=C(C=C1)[N+](=O)[O-])C)OCC(=O)N2CCN(CC2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H24ClN3O4/c1-15-3-8-19(25(27)28)16(2)21(15)29-14-20(26)24-11-9-23(10-12-24)13-17-4-6-18(22)7-5-17/h3-8H,9-14H2,1-2H3